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O8Y : Summary
Code ![](/pdbe/static/images/help.png)
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O8Y
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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hexanal
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C6 H12 O
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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100.159 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C(CC=O)CCC |
SMILES
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CACTVS |
3.385 |
CCCCCC=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCCCC=O |
Canonical SMILES
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CACTVS |
3.385 |
CCCCCC=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CCCCCC=O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | JARKCYVAAOWBJS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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19 (7 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2019-06-18
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Last modified at ![](/pdbe/static/images/help.png)
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2020-05-01
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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